ethyl 5-[4-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[4-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)piperazin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[4-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-1-piperazinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[4-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)piperazino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C25H27N5O8S MolecularWeight: 557.57558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=O)N5C)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=O)N5C)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H27N5O8S/c1-5-37-24(31)23-15(2)17-12-16(6-7-22(17)38-23)39(35,36)29-10-8-28(9-11-29)20-13-18-19(14-21(20)30(33)34)27(4)25(32)26(18)3/h6-7,12-14H,5,8-11H2,1-4H3